Comparison of substitution effects of F and methyl groups adjoined to C and B atoms in hydrogen bonds.

Highlights: [•] The F substituent adjoined to the C atom plays a bigger enhancing role than that to the B atom. [•] The methyl group adjoined to the C atom has an enhancing effect, while that to the B atom has a weakening effect. [•] It is a good makeup for the role of F and methyl groups in hydrogen bonds. [ABSTRACT FROM AUTHOR]